N-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

C13H25N3O4S — CID 124843676

IUPACN-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCCN1CC[C@H]2[C@@H](C1)OCCN2C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C13H25N3O4S/c1-4-15-6-5-11-12(9-15)20-8-7-16(11)13(17)10-14(2)21(3,18)19/h11-12H,4-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyFBMRPWGSMRQBBV-NWDGAFQWSA-N
MW319.43 g/mol
LogP-0.80
Rot. Bonds4

About N-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 124843676) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID124843676
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC NameN-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCCN1CC[C@H]2[C@@H](C1)OCCN2C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C13H25N3O4S/c1-4-15-6-5-11-12(9-15)20-8-7-16(11)13(17)10-14(2)21(3,18)19/h11-12H,4-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyFBMRPWGSMRQBBV-NWDGAFQWSA-N
XLogP-0.80
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (CID 124843676) is N-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is CCN1CC[C@H]2[C@@H](C1)OCCN2C(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is FBMRPWGSMRQBBV-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-4-15-6-5-11-12(9-15)20-8-7-16(11)13(17)10-14(2)21(3,18)19/h11-12H,4-10H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of N-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of -0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 124843676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).